2-[(3-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(3-fluorophenyl)methylthio]-1-phenethyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-phenethyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(3-fluorobenzyl)thio]-1-phenethyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C24H21FN4OS MolecularWeight: 432.513143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC(=CC=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=O)N=C2SCC3=CC(=CC=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C24H21FN4OS/c25-22-8-4-7-19(12-22)16-31-24-28-23(30)21(11-20-13-26-17-27-14-20)15-29(24)10-9-18-5-2-1-3-6-18/h1-8,12-15,17H,9-11,16H2